BDBM50050791 2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-di-p-tolyl-propionic acid::CHEMBL303034

SMILES: COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccc(C)cc2)c2ccc(C)cc2)n1

InChI Key: InChIKey=WZQLNTRMQXKHIJ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50050791   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50050791 (2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-...) Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccc(C)cc2)c2ccc(C)cc2)n1 Show InChI InChI=1S/C24H26N2O6/c1-15-6-10-17(11-7-15)24(31-5,18-12-8-16(2)9-13-18)21(22(27)28)32-23-25-19(29-3)14-20(26-23)30-4/h6-14,21H,1-5H3,(H,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells				J Med Chem 39: 2123-8 (1996) Article DOI: 10.1021/jm960274q BindingDB Entry DOI: 10.7270/Q2G44PDH
					More data for this Ligand-Target Pair
EDNRB (Homo sapiens (Human))	BDBM50050791 (2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-...) Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccc(C)cc2)c2ccc(C)cc2)n1 Show InChI InChI=1S/C24H26N2O6/c1-15-6-10-17(11-7-15)24(31-5,18-12-8-16(2)9-13-18)21(22(27)28)32-23-25-19(29-3)14-20(26-23)30-4/h6-14,21H,1-5H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Endothelin B receptor by measuring its ability to displace [125I]-ET-3 from guinea pig cerebellum				J Med Chem 39: 2123-8 (1996) Article DOI: 10.1021/jm960274q BindingDB Entry DOI: 10.7270/Q2G44PDH
					More data for this Ligand-Target Pair